Penicillin V Hydrabamine
[CAS# 6591-72-6]

Identification

• Name: Penicillin V Hydrabamine
• Synonyms: N,N'-Bis[[(1R,4As)-7-Isopropyl-1,4A-Dimethyl-2,3,4,9,10,10A-Hexahydrophenanthren-1-Yl]Methyl]Ethane-1,2-Diamine; 3,3-Dimethyl-7-Oxo-6-[[2-(Phenoxy)Acetyl]Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; N,N'-Bis[[(1R,4As)-7-Isopropyl-1,4A-Dimethyl-2,3,4,9,10,10A-Hexahydrophenanthren-1-Yl]Methyl]Ethane-1,2-Diamine; 3,3-Dimethyl-7-Oxo-6-[[1-Oxo-2-(Phenoxy)Ethyl]Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; [(1R,4As)-7-Isopropyl-1,4A-Dimethyl-2,3,4,9,10,10A-Hexahydrophenanthren-1-Yl]Methyl-[2-[[(1R,4As)-7-Isopropyl-1,4A-Dimethyl-2,3,4,9,10,10A-Hexahydrophenanthren-1-Yl]Methylamino]Ethyl]Amine; 7-Keto-3,3-Dimethyl-6-[[2-(Phenoxy)Acetyl]Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₅₈H₈₂N₄O₅S
• Molecular Weight: 947.37
• CAS Registry Number: 6591-72-6
• SMILES: [C@]15(C([C@@](CCC1)(CNCCNC[C@]4(C2[C@@](C3=C(CC2)C=C(C=C3)C(C)C)(CCC4)C)C)C)CCC6=C5C=CC(=C6)C(C)C)C.C9=C(OCC(=O)NC8C7SC(C(N7C8=O)C(=O)O)(C)C)C=CC=C9
• InChI: 1S/C42H64N2.C16H18N2O5S/c1-29(2)31-11-15-35-33(25-31)13-17-37-39(5,19-9-21-41(35,37)7)27-43-23-24-44-28-40(6)20-10-22-42(8)36-16-12-32(30(3)4)26-34(36)14-18-38(40)42;1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h11-12,15-16,25-26,29-30,37-38,43-44H,9-10,13-14,17-24,27-28H2,1-8H3;3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t37?,38?,39-,40-,41+,42+;/m0./s1
• InChIKey: XUJMMHWQEXOHDC-MPGZMCJKSA-N

Properties

• Boiling point: 660.4°C at 760 mmHg (Cal.)
• Flash point: 368.4°C (Cal.)